ChemSpider 2D Image | [(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-Acetoxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadecahydro-2-picenyl]methyl acetate | C34H50O4

[(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-Acetoxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadecahydro-2-picenyl]methyl acetate

  • Molecular FormulaC34H50O4
  • Average mass522.758 Da
  • Monoisotopic mass522.370911 Da
  • ChemSpider ID8273796

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-Acetoxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadecahydro-2-picenyl]methyl acetate [ACD/IUPAC Name]
[(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-Acetoxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadecahydro-2-picenyl]methyl-acetat [German] [ACD/IUPAC Name]
2-Picenemethanol, 10-(acetyloxy)-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadecahydro-2,4a,6a,9,9,12a,14a-heptamethyl-, acetate, (2R,4aS,6aS,10R,12aR,14aS,14bR)- [ACD/Index Name]
Acétate de [(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-acétoxy-2,4a,6a,9,9,12a,14a-heptaméthyl-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadécahydro-2-picényl]méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 577.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 277.2±28.5 °C
Index of Refraction: 1.548
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.06
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4121018.25
ACD/LogD (pH 7.4): 9.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4121018.25
Polar Surface Area: 53 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 478.6±5.0 cm3

Click to predict properties on the Chemicalize site


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